3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide

C15H20ClNO2 — CID 56764290

IUPAC3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
SMILESO=C(NCC(O)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c16-13-8-4-7-12(9-13)15(19)17-10-14(18)11-5-2-1-3-6-11/h4,7-9,11,14,18H,1-3,5-6,10H2,(H,17,19)
InChIKeyTUJFJYCTDJRCOR-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide

3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide (PubChem CID 56764290) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
PubChem CID56764290
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
SMILESO=C(NCC(O)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c16-13-8-4-7-12(9-13)15(19)17-10-14(18)11-5-2-1-3-6-11/h4,7-9,11,14,18H,1-3,5-6,10H2,(H,17,19)
InChIKeyTUJFJYCTDJRCOR-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide (CID 56764290) is 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide is O=C(NCC(O)C1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
The InChIKey is TUJFJYCTDJRCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-8-4-7-12(9-13)15(19)17-10-14(18)11-5-2-1-3-6-11/h4,7-9,11,14,18H,1-3,5-6,10H2,(H,17,19).
What are the key properties of 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide has a molecular weight of 281.78 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide is sourced from PubChem (CID 56764290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).